4-nitro-3-(phenylsulfonylmethyl)benzoic acid

Systemtic Name: 4-nitro-3-(phenylsulfonylmethyl)benzoic acid Openeye Name: 3-(benzenesulfonylmethyl)-4-nitro-benzoic acid CAS Name: 3-(benzenesulfonylmethyl)-4-nitrobenzoic acid IUPAC Name: 3-(benzenesulfonylmethyl)-4-nitrobenzoic acid Traditional Name: 3-(besylmethyl)-4-nitro-benzoic acid Formula: C14H11NO6S MolecularWeight: 321.30524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO6S/c16-14(17)10-6-7-13(15(18)19)11(8-10)9-22(20,21)12-4-2-1-3-5-12/h1-8H,9H2,(H,16,17)